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BDBM301849 N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-cyclopropylpiperazine-1-carboxamide ::US9598387, Compound 35::US9969743, 35

SMILES: CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)N2CCN(CC2)C2CC2)CC1

InChI Key: InChIKey=VTKQFQBLYNWSNR-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 301849   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM301849
PNG
(N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimid...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)N2CCN(CC2)C2CC2)CC1
Show InChI InChI=1S/C25H40F3N7O/c1-24(2,3)22-30-20(25(26,27)28)18-21(31-22)34-12-10-32(11-13-34)9-5-4-8-29-23(36)35-16-14-33(15-17-35)19-6-7-19/h18-19H,4-17H2,1-3H3,(H,29,36)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
12.8n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...


US Patent US9969743 (2018)


BindingDB Entry DOI: 10.7270/Q2HD7Z0N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM301849
PNG
(N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimid...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)N2CCN(CC2)C2CC2)CC1
Show InChI InChI=1S/C25H40F3N7O/c1-24(2,3)22-30-20(25(26,27)28)18-21(31-22)34-12-10-32(11-13-34)9-5-4-8-29-23(36)35-16-14-33(15-17-35)19-6-7-19/h18-19H,4-17H2,1-3H3,(H,29,36)
PDB

Reactome pathway

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
12.8n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...


US Patent US9598387 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM301849
PNG
(N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimid...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)N2CCN(CC2)C2CC2)CC1
Show InChI InChI=1S/C25H40F3N7O/c1-24(2,3)22-30-20(25(26,27)28)18-21(31-22)34-12-10-32(11-13-34)9-5-4-8-29-23(36)35-16-14-33(15-17-35)19-6-7-19/h18-19H,4-17H2,1-3H3,(H,29,36)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
331n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...


US Patent US9969743 (2018)


BindingDB Entry DOI: 10.7270/Q2HD7Z0N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM301849
PNG
(N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimid...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)N2CCN(CC2)C2CC2)CC1
Show InChI InChI=1S/C25H40F3N7O/c1-24(2,3)22-30-20(25(26,27)28)18-21(31-22)34-12-10-32(11-13-34)9-5-4-8-29-23(36)35-16-14-33(15-17-35)19-6-7-19/h18-19H,4-17H2,1-3H3,(H,29,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
331n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...


US Patent US9598387 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
More data for this
Ligand-Target Pair